Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:48:43 UTC
Update Date2025-03-24 14:35:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00887328
Frequency1.6
Structure
Chemical FormulaC4H7NO2
Molecular Mass101.0477
SMILESNC1COCC1=O
InChI KeyZONXMMDPDDVDDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 3-furanone
  • organooxygen compound